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Ethyl 6-ethyl-2-{[({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 2 NMR

Ethyl 6-ethyl-2-{[({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID AJF7KrioeTY
InChI InChI=1S/C34H37N3O4S2/c1-5-21-14-15-25-29(16-21)43-32(30(25)33(39)40-6-2)37-34(42)36-31(38)26-18-28(35-27-13-8-7-12-24(26)27)22-10-9-11-23(17-22)41-19-20(3)4/h7-13,17-18,20-21H,5-6,14-16,19H2,1-4H3,(H2,36,37,38,42)
InChIKey YZFNHUBJHDEYED-UHFFFAOYSA-N
Mol Weight 615.8 g/mol
Molecular Formula C34H37N3O4S2
Exact Mass 615.222549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6RMGm3AnNWm
Name Ethyl 6-ethyl-2-{[({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 615.222549027 u
Formula C34H37N3O4S2
InChI InChI=1S/C34H37N3O4S2/c1-5-21-14-15-25-29(16-21)43-32(30(25)33(39)40-6-2)37-34(42)36-31(38)26-18-28(35-27-13-8-7-12-24(26)27)22-10-9-11-23(17-22)41-19-20(3)4/h7-13,17-18,20-21H,5-6,14-16,19H2,1-4H3,(H2,36,37,38,42)
InChIKey YZFNHUBJHDEYED-UHFFFAOYSA-N
Molecular Weight 615.807 g/mol
SMILES N(C1=C(C=2CCC(CC2S1)CC)C(=O)OCC)C(NC(C=1C=C(C=2C=C(OCC(C)C)C=CC2)N=C2C1C=CC=C2)=O)=S